CID 91694

Fenpropidin

Structural Information

Molecular Formula
C19H31N
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
InChI
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey
MGNFYQILYYYUBS-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

19
References

40854
Patents

273.24564 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.25292 171.1
[M+Na]+ 296.23486 173.7
[M-H]- 272.23836 174.7
[M+NH4]+ 291.27946 185.8
[M+K]+ 312.20880 170.0
[M+H-H2O]+ 256.24290 162.9
[M+HCOO]- 318.24384 185.6
[M+CH3COO]- 332.25949 202.4
[M+Na-2H]- 294.22031 172.3
[M]+ 273.24509 167.4
[M]- 273.24619 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.